2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid

C13H18N2O3 — CID 60839603

IUPAC2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
SMILESCCN(C)C(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14(2)12(16)9-15(10-13(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyDATHQKBVIODVDW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds6

About 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid

2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid (PubChem CID 60839603) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
PubChem CID60839603
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
SMILESCCN(C)C(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14(2)12(16)9-15(10-13(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyDATHQKBVIODVDW-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60839780
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
CID 79173270
2-(N-sulfanylanilino)acetic acid
CID 87905389
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
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2-(N-prop-2-ynylanilino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid (CID 60839603) is 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid is CCN(C)C(=O)CN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid?
The InChIKey is DATHQKBVIODVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14(2)12(16)9-15(10-13(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid?
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 60839603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).